#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s LEU 2 N 0.00 3.08 -0.20 -4.62 0.05 -1.26 -5.03 118.68 110.70 3cfk s LEU 2 Ca 0.00 -0.29 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 3cfk s LEU 2 Cb 0.00 -1.83 0.01 0.00 -2.05 0.00 0.00 46.19 42.32 3cfk s LEU 2 CO 0.00 0.22 -0.13 -0.69 -0.55 0.00 0.00 176.35 175.20 3cfk s VAL 3 N -1.12 2.61 -0.16 1.48 1.01 -1.26 -5.00 120.40 117.96 3cfk s VAL 3 Ca 0.20 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 3cfk s VAL 3 Cb -0.11 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3cfk s VAL 3 CO 0.11 0.47 0.30 -0.69 0.00 0.00 0.00 175.10 175.29 3cfk s VAL 4 N 1.36 5.30 -0.04 2.92 1.01 -1.26 -2.48 120.40 127.21 3cfk s VAL 4 Ca 0.05 0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.64 3cfk s VAL 4 Cb -0.14 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3cfk s VAL 4 CO -0.09 0.38 -0.19 -0.89 0.00 0.00 0.00 175.10 174.32 3cfk s THR 5 N 0.50 1.55 0.19 3.92 2.01 0.05 -3.83 115.64 120.03 3cfk s THR 5 Ca 0.17 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.43 3cfk s THR 5 Cb -0.13 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 3cfk s THR 5 CO 0.04 0.44 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.20 3cfk s GLN 6 N -0.15 1.24 0.43 4.92 -0.21 -1.26 -1.25 119.66 123.39 3cfk s GLN 6 Ca -0.00 -1.56 -0.26 0.00 0.02 0.00 0.00 55.36 53.56 3cfk s GLN 6 Cb -0.11 -0.90 -0.09 0.00 1.00 0.00 0.00 33.01 32.92 3cfk s GLN 6 CO 0.01 0.11 1.45 -1.21 -2.12 0.00 0.00 175.29 173.54 3cfk s GLU 7 N -3.71 3.78 0.07 2.91 8.01 -1.26 -4.87 118.70 123.63 3cfk s GLU 7 Ca 0.21 2.48 -0.21 0.00 0.01 0.00 0.00 54.97 57.46 3cfk s GLU 7 Cb 0.01 -2.73 -0.12 0.00 -4.31 0.00 0.00 34.13 26.98 3cfk s GLU 7 CO 0.05 -0.76 1.55 0.77 0.01 0.00 0.00 175.26 176.88 3cfk h SER 8 N 2.48 0.22 -4.25 -0.19 0.02 -1.96 -3.32 113.55 106.55 3cfk h SER 8 Ca -0.51 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.10 3cfk h SER 8 Cb 1.26 -0.06 -0.22 0.00 0.14 0.00 0.00 62.40 63.52 3cfk h SER 8 CO 0.62 0.39 -0.18 0.00 -1.14 0.00 0.00 176.83 176.53 3cfk s ALA 9 N -5.27 -1.09 0.04 3.77 0.00 -1.26 -1.46 121.76 116.48 3cfk s ALA 9 Ca -0.14 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3cfk s ALA 9 Cb 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3cfk s ALA 9 CO 0.70 -0.24 -0.08 -0.51 0.00 0.00 0.00 175.76 175.63 3cfk s LEU 11 N -0.25 2.23 -0.03 0.00 1.43 -0.13 -4.94 118.68 116.99 3cfk s LEU 11 Ca -0.04 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 3cfk s LEU 11 Cb -0.03 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 3cfk s LEU 11 CO 0.02 -0.16 -0.24 -0.89 0.23 0.00 0.00 176.35 175.31 3cfk s THR 12 N -1.24 2.20 0.03 5.49 2.01 -1.26 -0.88 115.64 121.98 3cfk s THR 12 Ca -0.08 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.77 3cfk s THR 12 Cb -0.09 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.65 3cfk s THR 12 CO 0.01 0.58 0.24 0.28 -0.69 0.00 0.00 174.62 175.03 3cfk s THR 13 N -0.51 0.09 0.40 -0.82 -1.32 -0.81 -4.98 115.64 107.69 3cfk s THR 13 Ca 0.07 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.77 3cfk s THR 13 Cb -0.11 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 3cfk s THR 13 CO 0.00 -0.42 0.66 -0.44 -2.21 0.00 0.00 174.62 172.22 3cfk s SER 14 N -1.90 6.30 0.36 8.08 0.01 -1.26 -0.82 113.70 124.47 3cfk s SER 14 Ca -0.07 0.70 -0.28 0.00 1.31 0.00 0.00 55.95 57.61 3cfk s SER 14 Cb -0.02 -2.14 -0.11 0.00 0.21 0.00 0.00 66.02 63.95 3cfk s SER 14 CO -0.02 -0.41 1.50 -2.84 0.41 0.00 0.00 173.24 171.88 3cfk s PRO 15 N -4.41 4.11 0.00 12.44 0.02 -1.26 -2.30 135.00 143.61 3cfk s PRO 15 Ca 0.44 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.03 3cfk s PRO 15 Cb -0.10 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3cfk s PRO 15 CO 0.39 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3cfk n GLY 16 N 0.73 2.70 3.88 0.52 0.00 0.28 -4.90 105.19 108.41 3cfk n GLY 16 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3cfk n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfk s GLU 17 N -0.34 3.43 -0.11 1.61 2.02 -0.97 -4.08 118.70 120.26 3cfk s GLU 17 Ca 0.00 0.54 -0.11 0.00 0.02 0.00 0.00 54.97 55.43 3cfk s GLU 17 Cb 0.00 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3cfk s GLU 17 CO 0.00 -0.57 0.23 0.99 0.02 0.00 0.00 175.26 175.92 3cfk s THR 18 N -3.11 5.35 0.01 3.63 2.01 -1.26 -0.83 115.64 121.44 3cfk s THR 18 Ca 0.54 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.98 3cfk s THR 18 Cb -0.11 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 3cfk s THR 18 CO 0.51 0.54 -0.07 0.54 -0.69 0.00 0.00 174.62 175.45 3cfk s VAL 19 N -0.54 0.51 -0.14 3.82 0.11 -0.70 -4.97 120.40 118.48 3cfk s VAL 19 Ca 0.16 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 3cfk s VAL 19 Cb -0.13 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3cfk s VAL 19 CO 0.05 -0.01 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.79 3cfk s THR 20 N -0.50 1.51 -0.11 5.04 2.01 -1.26 -0.33 115.64 122.01 3cfk s THR 20 Ca -0.01 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 3cfk s THR 20 Cb -0.05 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 3cfk s THR 20 CO 0.00 0.45 0.25 -0.76 -0.69 0.00 0.00 174.62 173.87 3cfk s LEU 21 N 1.49 4.35 0.36 4.42 1.02 0.18 -4.94 118.68 125.56 3cfk s LEU 21 Ca 0.05 0.58 0.08 0.00 0.02 0.00 0.00 54.13 54.86 3cfk s LEU 21 Cb -0.13 -2.28 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 3cfk s LEU 21 CO -0.10 0.28 0.06 0.42 0.02 0.00 0.00 176.35 177.02 3cfk s THR 22 N -0.47 2.58 -0.19 5.49 -4.23 -1.26 -0.39 115.64 117.17 3cfk s THR 22 Ca 0.17 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 3cfk s THR 22 Cb -0.13 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 70.94 3cfk s THR 22 CO 0.06 -0.15 0.31 0.00 -0.54 0.00 0.00 174.62 174.29 3cfk s ARG 24 N 2.46 1.67 0.10 0.00 1.70 -0.38 -1.07 118.95 123.43 3cfk s ARG 24 Ca 0.06 -1.82 0.08 0.00 -0.47 0.00 0.00 55.73 53.58 3cfk s ARG 24 Cb -0.14 -1.54 -0.04 0.00 -0.57 0.00 0.00 34.95 32.66 3cfk s ARG 24 CO -0.12 0.17 -0.21 0.45 -1.08 0.00 0.00 175.30 174.51 3cfk s SER 25 N -3.52 2.59 0.00 -2.89 0.15 -1.26 -0.77 113.70 108.00 3cfk s SER 25 Ca 0.30 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.52 3cfk s SER 25 Cb 0.00 -0.15 0.65 0.00 -1.71 0.00 0.00 66.02 64.82 3cfk s SER 25 CO 0.14 0.07 1.50 -1.54 1.20 0.00 0.00 173.24 174.61 3cfk n SER 26 N 1.09 0.67 0.18 5.45 3.41 -1.04 -3.66 113.62 119.71 3cfk n SER 26 Ca -0.19 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.07 3cfk n SER 26 Cb 0.53 0.17 0.27 0.00 -0.26 0.00 0.00 64.21 64.92 3cfk n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cfk h SER 27 N 0.45 0.00 -0.03 4.04 0.02 -1.96 -3.48 113.55 112.58 3cfk h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3cfk h SER 27 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3cfk h SER 27 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3cfk n GLY 27 N 1.17 0.79 3.71 -3.77 0.00 -1.24 -5.09 105.19 100.75 3cfk n GLY 27 Ca 0.05 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3cfk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 27 N -1.00 1.70 -2.44 4.61 0.00 -1.26 -4.31 120.51 117.81 3cfk n ALA 27 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3cfk n ALA 27 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 3cfk n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cfk s VAL 27 N -0.46 4.20 0.35 0.00 1.01 0.85 -4.99 120.40 121.35 3cfk s VAL 27 Ca 0.62 1.54 0.09 0.00 0.00 0.00 0.00 61.98 64.22 3cfk s VAL 27 Cb -0.56 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 3cfk s VAL 27 CO 0.55 0.01 -0.07 0.28 0.00 0.00 0.00 175.10 175.86 3cfk s THR 28 N 2.16 2.11 0.44 3.92 -1.32 -1.26 -4.68 115.64 117.00 3cfk s THR 28 Ca 0.57 -2.16 0.27 0.00 -1.21 0.00 0.00 61.69 59.16 3cfk s THR 28 Cb -0.25 -2.69 0.46 0.00 -1.51 0.00 0.00 72.50 68.50 3cfk s THR 28 CO 0.23 -0.17 1.70 0.74 -2.21 0.00 0.00 174.62 174.91 3cfk h THR 29 N 2.01 0.31 0.00 5.08 2.02 -1.99 0.22 112.91 120.56 3cfk h THR 29 Ca -0.42 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3cfk h THR 29 Cb 1.25 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3cfk h THR 29 CO 0.72 0.04 0.00 -1.20 0.37 0.00 0.00 175.52 175.45 3cfk n SER 30 N -4.59 0.44 -0.00 4.18 7.64 -1.26 -1.76 113.62 118.27 3cfk n SER 30 Ca 0.31 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.97 3cfk n SER 30 Cb 1.21 -0.72 0.47 0.00 -1.01 0.00 0.00 64.21 64.16 3cfk n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfk n ASN 31 N -2.02 0.22 -4.02 6.43 5.03 0.07 -4.82 115.26 116.14 3cfk n ASN 31 Ca 0.01 0.15 -0.36 0.00 0.87 0.00 0.00 54.58 55.26 3cfk n ASN 31 Cb 0.14 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 38.71 3cfk n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3cfk n TYR 32 N -1.48 -1.52 -1.65 3.10 4.01 -0.72 0.53 117.16 119.44 3cfk n TYR 32 Ca 0.07 0.41 -0.47 0.00 -0.16 0.00 0.00 57.90 57.75 3cfk n TYR 32 Cb 0.33 -3.13 -0.04 0.00 -0.31 0.00 0.00 39.34 36.20 3cfk n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cfk n ALA 33 N -4.64 0.66 -2.44 -0.72 0.00 -1.26 -4.30 120.51 107.82 3cfk n ALA 33 Ca -0.20 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 3cfk n ALA 33 Cb 0.63 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.70 3cfk n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cfk s THR 34 N 0.31 1.96 -0.04 0.00 2.01 -0.59 -1.39 115.64 117.90 3cfk s THR 34 Ca 0.74 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 61.29 3cfk s THR 34 Cb -0.73 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 3cfk s THR 34 CO 0.46 0.13 -0.22 0.26 -0.69 0.00 0.00 174.62 174.56 3cfk s TRP 35 N -0.98 2.10 -0.01 4.92 0.52 -0.57 -1.13 118.94 123.79 3cfk s TRP 35 Ca 0.10 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.73 3cfk s TRP 35 Cb -0.10 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3cfk s TRP 35 CO 0.04 -0.16 -0.24 0.08 0.02 0.00 0.00 176.95 176.69 3cfk s VAL 36 N -0.18 2.22 -0.14 4.03 1.01 0.46 -0.47 120.40 127.32 3cfk s VAL 36 Ca -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 3cfk s VAL 36 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3cfk s VAL 36 CO 0.02 0.54 0.01 -1.58 0.00 0.00 0.00 175.10 174.09 3cfk s GLN 37 N -0.75 3.59 -0.17 2.72 0.74 0.65 -1.13 119.66 125.31 3cfk s GLN 37 Ca 0.11 -0.43 -0.00 0.00 0.05 0.00 0.00 55.36 55.09 3cfk s GLN 37 Cb -0.10 -2.98 -0.00 0.00 1.10 0.00 0.00 33.01 31.02 3cfk s GLN 37 CO -0.00 0.38 -0.14 -2.00 -0.55 0.00 0.00 175.29 172.99 3cfk s GLU 38 N 0.01 3.24 0.28 1.67 2.12 0.65 -1.09 118.70 125.57 3cfk s GLU 38 Ca 0.03 -0.73 0.10 0.00 0.36 0.00 0.00 54.97 54.73 3cfk s GLU 38 Cb -0.13 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 3cfk s GLU 38 CO 0.02 -0.03 -0.02 0.15 -0.54 0.00 0.00 175.26 174.84 3cfk s LYS 39 N 0.95 2.22 0.60 4.30 1.02 -0.07 -1.35 119.74 127.41 3cfk s LYS 39 Ca -0.02 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.31 3cfk s LYS 39 Cb -0.15 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 34.94 3cfk s LYS 39 CO -0.02 0.34 0.05 -2.30 -0.92 0.00 0.00 175.35 172.50 3cfk n PRO 40 N -0.88 0.16 -1.36 -1.68 -0.02 -1.26 -1.47 135.00 128.48 3cfk n PRO 40 Ca -0.06 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 3cfk n PRO 40 Cb 0.59 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 3cfk n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cfk n ASP 41 N 1.74 -4.09 -3.60 2.55 8.00 -1.26 -3.93 116.55 115.95 3cfk n ASP 41 Ca 0.08 0.22 -0.25 0.00 0.71 0.00 0.00 54.79 55.55 3cfk n ASP 41 Cb 0.48 -2.53 0.04 0.00 -0.02 0.00 0.00 41.12 39.10 3cfk n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3cfk n HIS 42 N -2.83 -2.03 -3.69 1.24 8.25 -1.01 -4.96 115.22 110.19 3cfk n HIS 42 Ca -0.10 0.65 -0.38 0.00 -0.26 0.00 0.00 57.72 57.63 3cfk n HIS 42 Cb 0.34 -3.83 -0.12 0.00 1.12 0.00 0.00 29.99 27.50 3cfk n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cfk s LEU 43 N -6.29 3.91 -0.02 2.41 1.43 -0.54 -4.95 118.68 114.63 3cfk s LEU 43 Ca 0.34 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3cfk s LEU 43 Cb -0.10 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3cfk s LEU 43 CO 0.82 -0.15 -0.00 -0.36 0.23 0.00 0.00 176.35 176.89 3cfk s PHE 44 N 1.61 3.08 -0.04 0.29 0.40 -1.26 -0.89 117.98 121.16 3cfk s PHE 44 Ca 0.05 0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 3cfk s PHE 44 Cb -0.17 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.71 3cfk s PHE 44 CO 0.05 0.45 0.05 0.99 0.70 0.00 0.00 175.22 177.47 3cfk s THR 45 N -1.03 -0.04 -0.02 0.64 2.01 -0.25 -4.97 115.64 111.98 3cfk s THR 45 Ca 0.18 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 3cfk s THR 45 Cb -0.11 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3cfk s THR 45 CO 0.08 0.19 1.39 -0.83 -0.69 0.00 0.00 174.62 174.76 3cfk s GLY 46 N 2.13 1.84 -0.22 4.40 0.00 -1.26 -0.26 107.32 113.96 3cfk s GLY 46 Ca 0.05 0.84 -0.13 0.00 0.00 0.00 0.00 44.72 45.48 3cfk s GLY 46 CO -0.03 2.52 -0.30 1.04 0.00 0.00 0.00 173.10 176.32 3cfk n LEU 47 N 5.54 1.70 -4.07 0.66 4.77 0.38 -4.75 117.00 121.23 3cfk n LEU 47 Ca 0.13 0.29 -0.21 0.00 -0.03 0.00 0.00 56.01 56.20 3cfk n LEU 47 Cb 0.44 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 3cfk n LEU 47 CO 0.58 0.31 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.86 3cfk s ILE 48 N -2.51 0.94 0.25 -0.08 -1.09 -1.17 -1.34 121.20 116.21 3cfk s ILE 48 Ca -0.31 -0.50 0.07 0.00 -2.23 0.00 0.00 60.65 57.68 3cfk s ILE 48 Cb 0.11 -0.79 -0.05 0.00 -1.58 0.00 0.00 42.46 40.14 3cfk s ILE 48 CO 0.40 0.27 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.46 3cfk s GLY 49 N -0.23 1.68 -1.52 6.18 0.00 0.72 -1.51 107.32 112.64 3cfk s GLY 49 Ca 0.04 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 42.83 3cfk s GLY 49 CO -0.00 -1.81 0.87 0.61 0.00 0.00 0.00 173.10 172.77 3cfk n GLY 50 N -0.51 -0.44 5.00 0.20 0.00 -1.12 -1.25 105.19 107.07 3cfk n GLY 50 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3cfk n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cfk n THR 51 N -4.56 0.00 -1.87 2.61 -1.04 -0.48 -4.08 114.28 104.85 3cfk n THR 51 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3cfk n THR 51 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 3cfk n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3cfk n ASN 52 N 2.47 0.00 -4.53 8.00 6.94 -1.18 -3.27 115.26 123.68 3cfk n ASN 52 Ca 0.00 -1.85 -0.40 0.00 -0.02 0.00 0.00 54.58 52.31 3cfk n ASN 52 Cb 0.00 -0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 3cfk n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3cfk s LYS 53 N 0.00 3.52 0.14 -3.83 3.01 -0.38 -4.66 119.74 117.55 3cfk s LYS 53 Ca 0.00 -0.60 -0.30 0.00 -1.01 0.00 0.00 55.97 54.06 3cfk s LYS 53 Cb 0.00 -3.80 -0.07 0.00 -1.01 0.00 0.00 37.83 32.95 3cfk s LYS 53 CO 0.00 -0.45 1.05 0.50 0.51 0.00 0.00 175.35 176.97 3cfk s ARG 54 N 1.77 4.62 0.52 1.68 3.52 -1.26 -0.20 118.95 129.60 3cfk s ARG 54 Ca 0.07 1.62 -0.19 0.00 -0.13 0.00 0.00 55.73 57.10 3cfk s ARG 54 Cb -0.17 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.83 3cfk s ARG 54 CO 0.11 0.11 1.05 0.00 -0.81 0.00 0.00 175.30 175.75 3cfk s ALA 55 N -0.07 2.83 0.21 6.12 0.00 -0.45 -4.91 121.76 125.49 3cfk s ALA 55 Ca 0.49 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 3cfk s ALA 55 Cb -0.27 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 55 CO 0.33 -0.48 1.12 -2.30 0.00 0.00 0.00 175.76 174.43 3cfk n PRO 56 N -1.32 1.23 0.00 0.00 -0.02 -1.26 -1.83 135.00 131.80 3cfk n PRO 56 Ca 0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3cfk n PRO 56 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3cfk n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 57 N 1.82 2.65 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.89 3cfk n GLY 57 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3cfk n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 58 N -2.22 4.60 0.42 1.61 1.01 -0.76 -4.99 120.40 120.06 3cfk s VAL 58 Ca 0.00 2.03 -0.25 0.00 0.00 0.00 0.00 61.98 63.75 3cfk s VAL 58 Cb 0.00 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 3cfk s VAL 58 CO 0.00 0.25 1.28 -2.65 0.00 0.00 0.00 175.10 173.98 3cfk n PRO 59 N 3.24 1.95 0.16 2.72 -0.02 -1.26 -4.89 135.00 136.90 3cfk n PRO 59 Ca 0.04 0.69 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 3cfk n PRO 59 Cb 0.50 -2.40 0.54 0.00 -0.02 0.00 0.00 33.50 32.12 3cfk n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfk h ALA 60 N 2.11 1.83 -1.76 3.55 0.00 -1.99 -2.29 119.26 120.70 3cfk h ALA 60 Ca -0.48 -0.05 0.53 0.00 0.00 0.00 0.00 54.91 54.91 3cfk h ALA 60 Cb 1.29 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3cfk h ALA 60 CO 0.60 0.14 1.24 -0.09 0.00 0.00 0.00 179.25 181.14 3cfk h ARG 61 N 0.19 0.01 -5.80 0.00 2.43 -1.90 -3.40 114.38 105.90 3cfk h ARG 61 Ca 0.05 -0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.61 3cfk h ARG 61 Cb 0.05 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3cfk h ARG 61 CO -0.01 0.01 -0.25 -0.06 -1.51 0.00 0.00 179.97 178.15 3cfk s PHE 62 N -4.98 3.62 0.07 2.20 0.08 -0.87 -0.79 117.98 117.31 3cfk s PHE 62 Ca -0.06 0.83 -0.12 0.00 0.12 0.00 0.00 56.93 57.70 3cfk s PHE 62 Cb 0.28 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 3cfk s PHE 62 CO 0.87 0.48 0.27 -1.54 -0.10 0.00 0.00 175.22 175.21 3cfk s SER 63 N -0.43 -0.05 0.14 1.36 1.04 -0.70 -4.95 113.70 110.10 3cfk s SER 63 Ca 0.21 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.38 3cfk s SER 63 Cb -0.15 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3cfk s SER 63 CO 0.10 -0.68 -0.25 -0.83 0.98 0.00 0.00 173.24 172.56 3cfk s GLY 64 N -2.44 1.53 0.24 7.32 0.00 -1.26 -0.56 107.32 112.15 3cfk s GLY 64 Ca -0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 44.72 43.12 3cfk s GLY 64 CO -0.07 -1.47 0.65 -1.14 0.00 0.00 0.00 173.10 171.07 3cfk n SER 65 N 0.75 -1.56 -4.66 1.64 3.41 -0.65 -4.25 113.62 108.31 3cfk n SER 65 Ca -0.17 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.11 3cfk n SER 65 Cb 0.54 2.58 -0.09 0.00 -0.26 0.00 0.00 64.21 66.97 3cfk n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfk s LEU 66 N 0.00 3.46 -0.23 1.04 1.43 -1.26 -0.42 118.68 122.70 3cfk s LEU 66 Ca 0.14 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3cfk s LEU 66 Cb -0.03 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.36 3cfk s LEU 66 CO 0.07 0.32 0.04 -0.63 0.23 0.00 0.00 176.35 176.38 3cfk s ILE 67 N -0.98 0.76 0.00 -0.59 1.01 -0.18 -4.93 121.20 116.29 3cfk s ILE 67 Ca 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3cfk s ILE 67 Cb -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.05 3cfk s ILE 67 CO 0.06 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.31 3cfk n GLY 68 N 4.94 3.00 0.25 6.18 0.00 -1.26 -1.20 105.19 117.11 3cfk n GLY 68 Ca -0.08 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3cfk n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cfk h ASP 69 N 0.00 0.00 -2.16 1.61 3.32 -1.97 -3.45 116.42 113.77 3cfk h ASP 69 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3cfk h ASP 69 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3cfk h ASP 69 CO 0.00 0.13 -0.56 -0.13 -1.72 0.00 0.00 179.24 176.96 3cfk s ARG 70 N -4.38 2.66 0.31 3.56 0.52 -0.34 -0.11 118.95 121.18 3cfk s ARG 70 Ca -0.03 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 53.82 3cfk s ARG 70 Cb 0.14 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 33.13 3cfk s ARG 70 CO 0.62 0.35 0.69 0.00 0.02 0.00 0.00 175.30 176.98 3cfk s ALA 71 N -2.23 3.39 -0.00 2.13 0.00 -0.23 -1.01 121.76 123.80 3cfk s ALA 71 Ca 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3cfk s ALA 71 Cb -0.07 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 3cfk s ALA 71 CO 0.23 0.35 -0.04 0.00 0.00 0.00 0.00 175.76 176.29 3cfk s ALA 72 N -1.98 0.36 -0.20 0.00 0.00 0.44 -0.59 121.76 119.80 3cfk s ALA 72 Ca 0.52 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 3cfk s ALA 72 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3cfk s ALA 72 CO 0.20 0.08 -0.05 -1.17 0.00 0.00 0.00 175.76 174.82 3cfk s LEU 73 N -0.19 2.95 -0.13 0.00 2.96 0.48 -1.63 118.68 123.13 3cfk s LEU 73 Ca 0.01 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3cfk s LEU 73 Cb -0.02 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3cfk s LEU 73 CO -0.00 0.03 0.01 -0.89 -1.32 0.00 0.00 176.35 174.19 3cfk s THR 74 N 1.17 4.40 -0.29 3.68 2.01 0.28 0.49 115.64 127.37 3cfk s THR 74 Ca 0.02 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 3cfk s THR 74 Cb -0.14 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.49 3cfk s THR 74 CO -0.01 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 3cfk s ILE 75 N -0.29 3.36 -0.57 1.82 1.01 0.56 -1.72 121.20 125.37 3cfk s ILE 75 Ca 0.07 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 3cfk s ILE 75 Cb -0.12 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.66 3cfk s ILE 75 CO 0.02 0.05 0.65 -0.89 0.00 0.00 0.00 174.94 174.77 3cfk s THR 76 N 1.38 4.90 0.00 2.92 2.01 0.03 -1.72 115.64 125.15 3cfk s THR 76 Ca -0.00 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.99 3cfk s THR 76 Cb -0.18 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3cfk s THR 76 CO -0.01 -1.03 0.00 0.61 -0.69 0.00 0.00 174.62 173.50 3cfk n GLY 77 N 5.26 0.82 3.64 4.40 0.00 -0.95 -4.73 105.19 113.63 3cfk n GLY 77 Ca -0.10 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 44.94 3cfk n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 78 N -0.77 0.53 -2.72 4.61 0.00 -0.01 -4.37 120.51 117.79 3cfk n ALA 78 Ca 0.00 0.42 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 3cfk n ALA 78 Cb 0.27 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 3cfk n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cfk s GLN 79 N -0.54 2.57 0.45 0.00 -0.21 -1.26 -0.56 119.66 120.12 3cfk s GLN 79 Ca 0.68 -1.13 0.18 0.00 0.02 0.00 0.00 55.36 55.11 3cfk s GLN 79 Cb -0.70 -2.40 1.13 0.00 1.00 0.00 0.00 33.01 32.03 3cfk s GLN 79 CO 0.52 0.43 1.95 1.79 -2.12 0.00 0.00 175.29 177.85 3cfk h THR 80 N 2.05 0.80 0.00 -0.19 1.35 -1.95 0.16 112.91 115.13 3cfk h THR 80 Ca -0.47 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3cfk h THR 80 Cb 1.22 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3cfk h THR 80 CO 0.60 0.06 0.00 -1.84 -0.25 0.00 0.00 175.52 174.09 3cfk n GLU 81 N -4.45 0.07 0.00 4.72 0.00 -1.25 -2.65 120.64 117.07 3cfk n GLU 81 Ca 0.12 0.23 0.15 0.00 0.00 0.00 0.00 57.16 57.67 3cfk n GLU 81 Cb 0.52 -1.50 0.85 0.00 0.00 0.00 0.00 31.44 31.30 3cfk n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cfk n ASP 82 N -1.43 0.29 -4.65 -1.84 8.00 0.55 -4.81 116.55 112.66 3cfk n ASP 82 Ca 0.04 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3cfk n ASP 82 Cb 0.14 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3cfk n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cfk s GLU 83 N -2.05 4.00 -0.02 -1.24 2.02 -1.08 -4.83 118.70 115.49 3cfk s GLU 83 Ca 0.44 2.43 -0.30 0.00 0.02 0.00 0.00 54.97 57.56 3cfk s GLU 83 Cb 0.22 -4.16 0.11 0.00 0.10 0.00 0.00 34.13 30.40 3cfk s GLU 83 CO 0.37 -1.11 1.30 0.00 0.02 0.00 0.00 175.26 175.84 3cfk s ALA 84 N 4.94 -2.36 -0.18 5.21 0.00 -1.19 -4.89 121.76 123.29 3cfk s ALA 84 Ca 0.87 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 3cfk s ALA 84 Cb -0.39 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3cfk s ALA 84 CO 0.38 -1.10 0.08 0.42 0.00 0.00 0.00 175.76 175.55 3cfk s ILE 85 N -2.20 4.96 -0.18 0.00 1.01 -0.46 -0.76 121.20 123.57 3cfk s ILE 85 Ca 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 3cfk s ILE 85 Cb 0.03 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3cfk s ILE 85 CO -0.03 0.46 -0.02 -0.31 0.00 0.00 0.00 174.94 175.04 3cfk s TYR 86 N 0.29 3.01 -0.10 3.97 1.51 -0.48 -0.26 117.35 125.30 3cfk s TYR 86 Ca 0.05 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3cfk s TYR 86 Cb -0.12 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3cfk s TYR 86 CO -0.00 -0.20 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.10 3cfk s PHE 87 N 0.78 2.90 0.18 2.71 0.08 -0.28 -1.06 117.98 123.29 3cfk s PHE 87 Ca -0.01 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.89 3cfk s PHE 87 Cb -0.14 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 3cfk s PHE 87 CO 0.02 0.13 0.23 0.00 -0.10 0.00 0.00 175.22 175.51 3cfk s ALA 89 N -1.83 -0.13 -0.03 0.00 0.00 -0.28 -0.50 121.76 118.99 3cfk s ALA 89 Ca 0.33 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.56 3cfk s ALA 89 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3cfk s ALA 89 CO 0.26 -0.04 -0.24 -0.51 0.00 0.00 0.00 175.76 175.23 3cfk s LEU 90 N 0.16 2.13 0.03 0.00 1.43 -0.26 -1.55 118.68 120.63 3cfk s LEU 90 Ca -0.01 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 3cfk s LEU 90 Cb -0.02 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3cfk s LEU 90 CO -0.00 0.31 0.74 0.26 0.23 0.00 0.00 176.35 177.88 3cfk s TRP 91 N -0.56 3.72 -0.34 0.29 0.51 0.19 -1.41 118.94 121.34 3cfk s TRP 91 Ca 0.08 1.42 -0.01 0.00 -2.12 0.00 0.00 56.10 55.47 3cfk s TRP 91 Cb -0.11 -2.79 0.13 0.00 -0.81 0.00 0.00 33.47 29.89 3cfk s TRP 91 CO -0.00 0.27 0.20 1.21 -0.51 0.00 0.00 176.95 178.11 3cfk s ASN 92 N -0.00 3.02 0.00 2.95 3.84 -0.46 -4.31 114.94 119.99 3cfk s ASN 92 Ca 0.37 -1.93 0.00 0.00 0.21 0.00 0.00 52.86 51.51 3cfk s ASN 92 Cb -0.20 -0.34 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 3cfk s ASN 92 CO 0.22 -0.34 0.00 -1.20 -2.79 0.00 0.00 177.10 172.99 3cfk n SER 93 N 4.35 0.00 -0.18 -4.21 7.64 -1.26 -2.14 113.62 117.83 3cfk n SER 93 Ca 0.08 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.98 3cfk n SER 93 Cb 0.39 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.60 3cfk n SER 93 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfk n ASN 94 N 4.37 1.23 -4.13 6.43 4.13 -1.26 -5.06 115.26 120.98 3cfk n ASN 94 Ca 0.00 -1.12 -0.27 0.00 1.68 0.00 0.00 54.58 54.87 3cfk n ASN 94 Cb 0.00 0.19 -0.16 0.00 -1.54 0.00 0.00 39.78 38.26 3cfk n ASN 94 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3cfk s HIS 95 N -0.65 1.81 -0.19 3.10 3.76 -0.91 -5.11 115.29 117.10 3cfk s HIS 95 Ca 0.06 -0.59 -0.13 0.00 -0.15 0.00 0.00 55.06 54.25 3cfk s HIS 95 Cb 0.04 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 3cfk s HIS 95 CO 0.09 -0.23 0.27 -1.17 -0.85 0.00 0.00 174.74 172.86 3cfk s LEU 96 N 0.20 4.20 -0.17 0.89 2.96 -1.26 -1.35 118.68 124.15 3cfk s LEU 96 Ca -0.08 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3cfk s LEU 96 Cb -0.13 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.26 3cfk s LEU 96 CO 0.03 0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.26 3cfk s VAL 97 N 0.72 1.90 0.32 1.68 1.01 -0.50 -4.93 120.40 120.59 3cfk s VAL 97 Ca 0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3cfk s VAL 97 Cb -0.13 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 3cfk s VAL 97 CO 0.04 0.51 0.86 -0.36 0.00 0.00 0.00 175.10 176.15 3cfk s PHE 98 N 1.35 3.56 0.96 5.22 0.08 -1.26 -1.10 117.98 126.79 3cfk s PHE 98 Ca 0.05 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.52 3cfk s PHE 98 Cb -0.13 -2.78 0.18 0.00 -0.57 0.00 0.00 43.02 39.72 3cfk s PHE 98 CO -0.12 0.16 1.22 0.20 -0.10 0.00 0.00 175.22 176.58 3cfk s GLY 99 N -1.82 1.66 0.02 4.36 0.00 0.35 -4.44 107.32 107.45 3cfk s GLY 99 Ca 0.51 -0.90 0.28 0.00 0.00 0.00 0.00 44.72 44.62 3cfk s GLY 99 CO 0.20 -0.21 1.91 0.61 0.00 0.00 0.00 173.10 175.61 3cfk n GLY 100 N -2.84 -1.51 0.00 0.20 0.00 -1.25 -4.76 105.19 95.02 3cfk n GLY 100 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3cfk n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 101 N 1.45 1.42 2.95 -0.02 0.00 -1.26 -5.03 105.19 104.70 3cfk n GLY 101 Ca 0.07 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3cfk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfk s THR 102 N -2.36 1.35 -0.05 2.61 2.01 -0.23 -4.44 115.64 114.54 3cfk s THR 102 Ca 0.00 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3cfk s THR 102 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3cfk s THR 102 CO 0.00 0.22 1.38 -0.54 -0.69 0.00 0.00 174.62 174.99 3cfk s LYS 103 N 1.54 4.27 -0.32 4.92 1.02 -0.53 -1.38 119.74 129.25 3cfk s LYS 103 Ca 0.01 1.89 -0.11 0.00 0.02 0.00 0.00 55.97 57.79 3cfk s LYS 103 Cb -0.15 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 3cfk s LYS 103 CO -0.08 -0.61 0.18 -1.17 -0.92 0.00 0.00 175.35 172.74 3cfk s LEU 104 N 2.78 4.28 -0.19 3.17 2.96 0.06 -0.95 118.68 130.79 3cfk s LEU 104 Ca 0.62 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 3cfk s LEU 104 Cb -0.29 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3cfk s LEU 104 CO 0.24 -0.22 0.17 -0.70 -1.32 0.00 0.00 176.35 174.51 3cfk s GLU 105 N 1.64 4.20 -0.18 1.98 2.12 -0.06 -3.14 118.70 125.26 3cfk s GLU 105 Ca 0.05 -0.16 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 3cfk s GLU 105 Cb -0.17 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3cfk s GLU 105 CO 0.08 0.27 0.49 0.42 -0.54 0.00 0.00 175.26 175.97 3cfk s ILE 106 N 0.43 5.14 0.50 -3.70 -1.09 -1.26 -1.93 121.20 119.29 3cfk s ILE 106 Ca 0.10 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 59.23 3cfk s ILE 106 Cb -0.12 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.87 3cfk s ILE 106 CO -0.00 0.22 1.03 -0.75 -1.23 0.00 0.00 174.94 174.21 3cfk s LYS 107 N 1.35 3.75 0.30 2.79 2.20 -0.00 -4.95 119.74 125.19 3cfk s LYS 107 Ca 0.24 1.30 -0.13 0.00 -0.36 0.00 0.00 55.97 57.01 3cfk s LYS 107 Cb -0.15 -2.09 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 3cfk s LYS 107 CO 0.09 -0.46 0.60 -0.98 -0.36 0.00 0.00 175.35 174.24 3cfk s ARG 108 N -3.41 1.83 0.55 4.03 1.04 -1.26 -4.50 118.95 117.22 3cfk s ARG 108 Ca 0.66 -1.34 -0.21 0.00 -1.04 0.00 0.00 55.73 53.80 3cfk s ARG 108 Cb -0.15 0.53 -0.05 0.00 -2.04 0.00 0.00 34.95 33.24 3cfk s ARG 108 CO 0.23 -0.80 1.27 0.95 -0.04 0.00 0.00 175.30 176.91 3cfk s THR 109 N -3.42 2.42 0.34 4.99 -4.23 -1.26 -4.91 115.64 109.57 3cfk s THR 109 Ca 0.20 0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.71 3cfk s THR 109 Cb -0.03 -3.14 -0.11 0.00 1.34 0.00 0.00 72.50 70.57 3cfk s THR 109 CO 0.11 -0.02 1.50 0.68 -0.54 0.00 0.00 174.62 176.35 3cfk s VAL 110 N -1.44 2.17 -0.07 2.29 -7.23 -1.26 -4.83 120.40 110.03 3cfk s VAL 110 Ca 0.73 0.16 0.01 0.00 -1.81 0.00 0.00 61.98 61.07 3cfk s VAL 110 Cb -0.35 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.51 3cfk s VAL 110 CO 0.40 0.03 -0.07 0.00 -0.31 0.00 0.00 175.10 175.15 3cfk s ALA 111 N -0.68 1.05 0.38 1.32 0.00 0.42 -4.94 121.76 119.31 3cfk s ALA 111 Ca 0.56 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 3cfk s ALA 111 Cb -0.46 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 3cfk s ALA 111 CO 0.56 -0.13 1.07 0.00 0.00 0.00 0.00 175.76 177.25 3cfk s ALA 112 N 1.17 3.15 0.38 0.00 0.00 -1.26 -1.00 121.76 124.19 3cfk s ALA 112 Ca -0.06 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 3cfk s ALA 112 Cb -0.14 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3cfk s ALA 112 CO -0.02 -0.23 1.07 -1.25 0.00 0.00 0.00 175.76 175.32 3cfk s PRO 113 N -2.28 4.21 0.29 0.00 0.04 -1.26 -4.53 135.00 131.47 3cfk s PRO 113 Ca 0.55 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 3cfk s PRO 113 Cb -0.25 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 3cfk s PRO 113 CO 0.31 -0.11 1.04 -1.12 0.04 0.00 0.00 177.00 177.16 3cfk s SER 114 N -1.44 7.30 -0.05 6.66 0.01 -0.91 -4.86 113.70 120.41 3cfk s SER 114 Ca 0.56 2.14 0.05 0.00 1.31 0.00 0.00 55.95 60.00 3cfk s SER 114 Cb -0.24 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 3cfk s SER 114 CO 0.30 -0.11 -0.20 -0.69 0.41 0.00 0.00 173.24 172.95 3cfk s VAL 115 N -1.25 1.70 0.02 3.43 1.01 -1.26 -0.94 120.40 123.10 3cfk s VAL 115 Ca 0.46 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3cfk s VAL 115 Cb -0.28 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3cfk s VAL 115 CO 0.36 0.48 -0.07 -0.36 0.00 0.00 0.00 175.10 175.51 3cfk s PHE 116 N -0.00 0.65 -0.03 5.22 0.40 -0.39 -4.99 117.98 118.83 3cfk s PHE 116 Ca -0.05 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 3cfk s PHE 116 Cb -0.13 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 3cfk s PHE 116 CO 0.03 -0.03 -0.24 -1.50 0.70 0.00 0.00 175.22 174.18 3cfk s ILE 117 N -0.71 2.19 -0.15 0.64 2.07 -1.26 -0.38 121.20 123.59 3cfk s ILE 117 Ca -0.03 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 3cfk s ILE 117 Cb -0.06 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 40.76 3cfk s ILE 117 CO 0.00 0.58 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.04 3cfk s PHE 118 N -0.51 2.67 0.71 3.50 0.08 0.50 -5.00 117.98 119.93 3cfk s PHE 118 Ca 0.07 -1.41 -0.11 0.00 0.12 0.00 0.00 56.93 55.60 3cfk s PHE 118 Cb -0.11 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3cfk s PHE 118 CO 0.00 -0.66 1.07 -1.25 -0.10 0.00 0.00 175.22 174.29 3cfk s PRO 119 N 0.93 2.79 0.58 0.24 0.04 -1.26 -2.17 135.00 136.14 3cfk s PRO 119 Ca -0.04 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 3cfk s PRO 119 Cb -0.15 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3cfk s PRO 119 CO -0.05 -1.22 1.30 -1.25 0.04 0.00 0.00 177.00 175.83 3cfk s PRO 120 N -4.91 2.99 0.58 0.56 0.04 -1.21 -4.88 135.00 128.18 3cfk s PRO 120 Ca 0.59 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 63.55 3cfk s PRO 120 Cb -0.15 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3cfk s PRO 120 CO 0.54 -1.26 1.09 -1.54 0.04 0.00 0.00 177.00 175.86 3cfk s SER 121 N -1.21 5.68 0.52 6.66 1.04 -1.26 -4.93 113.70 120.21 3cfk s SER 121 Ca 0.75 1.98 0.20 0.00 0.48 0.00 0.00 55.95 59.36 3cfk s SER 121 Cb -0.37 -2.56 1.32 0.00 0.10 0.00 0.00 66.02 64.51 3cfk s SER 121 CO 0.42 -1.24 2.09 0.44 0.98 0.00 0.00 173.24 175.93 3cfk h ASP 122 N 0.72 0.00 -0.50 7.02 3.32 -2.00 -2.58 116.42 122.42 3cfk h ASP 122 Ca -0.48 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 3cfk h ASP 122 Cb 1.24 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3cfk h ASP 122 CO 0.57 0.00 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.67 3cfk h GLU 123 N 0.00 0.94 -0.51 3.56 5.08 -2.00 -2.66 114.58 118.99 3cfk h GLU 123 Ca 0.10 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 3cfk h GLU 123 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3cfk h GLU 123 CO -0.00 1.01 -0.11 0.37 -1.00 0.00 0.00 179.01 179.28 3cfk h GLN 124 N 0.79 0.97 -0.57 2.33 4.15 -1.78 -3.00 115.11 118.00 3cfk h GLN 124 Ca 0.13 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.21 3cfk h GLN 124 Cb 0.64 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3cfk h GLN 124 CO 0.04 1.03 0.38 -0.07 -1.93 0.00 0.00 178.83 178.28 3cfk h LEU 125 N 0.83 0.59 -1.59 -2.39 3.38 -1.39 0.40 115.31 115.14 3cfk h LEU 125 Ca 0.13 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.25 3cfk h LEU 125 Cb 0.67 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3cfk h LEU 125 CO 0.05 0.41 0.52 0.11 0.09 0.00 0.00 178.44 179.62 3cfk h LYS 126 N 0.69 0.38 0.00 1.13 1.57 -1.33 -2.49 116.57 116.53 3cfk h LYS 126 Ca 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3cfk h LYS 126 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3cfk h LYS 126 CO -0.06 0.25 -0.11 -1.13 -0.57 0.00 0.00 179.45 177.84 3cfk n SER 127 N -4.48 0.34 0.00 0.86 3.41 0.12 -4.94 113.62 108.94 3cfk n SER 127 Ca 0.15 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3cfk n SER 127 Cb 0.57 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3cfk n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfk n GLY 128 N 1.44 0.55 3.46 5.00 0.00 -0.94 -5.09 105.19 109.61 3cfk n GLY 128 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3cfk n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 129 N -2.00 1.49 -0.06 2.61 -4.23 -1.25 -1.58 115.64 110.62 3cfk s THR 129 Ca 0.00 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 3cfk s THR 129 Cb 0.00 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.22 3cfk s THR 129 CO 0.00 -0.14 0.11 0.00 -0.54 0.00 0.00 174.62 174.05 3cfk s ALA 130 N -3.10 0.03 -0.16 3.99 0.00 -0.48 -3.48 121.76 118.56 3cfk s ALA 130 Ca 0.33 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 3cfk s ALA 130 Cb 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3cfk s ALA 130 CO 0.14 -0.52 -0.06 -1.12 0.00 0.00 0.00 175.76 174.20 3cfk s SER 131 N 2.21 4.50 -0.21 0.00 0.01 -1.26 -1.90 113.70 117.04 3cfk s SER 131 Ca 0.04 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 3cfk s SER 131 Cb -0.12 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 3cfk s SER 131 CO -0.04 0.13 0.00 -0.69 0.41 0.00 0.00 173.24 173.05 3cfk s VAL 132 N 0.57 3.90 -0.10 3.43 1.01 0.11 -3.29 120.40 126.04 3cfk s VAL 132 Ca -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3cfk s VAL 132 Cb -0.15 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3cfk s VAL 132 CO 0.03 0.41 -0.02 -0.69 0.00 0.00 0.00 175.10 174.83 3cfk s VAL 133 N 1.20 4.08 -0.11 2.92 1.01 -0.92 -0.40 120.40 128.18 3cfk s VAL 133 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3cfk s VAL 133 Cb -0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3cfk s VAL 133 CO 0.01 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 3cfk s LEU 135 N 0.28 2.34 -0.28 0.00 2.96 0.48 -0.92 118.68 123.54 3cfk s LEU 135 Ca -0.14 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 3cfk s LEU 135 Cb -0.17 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3cfk s LEU 135 CO 0.07 0.13 0.05 -0.76 -1.32 0.00 0.00 176.35 174.53 3cfk s LEU 136 N 0.53 3.71 -0.11 -0.68 1.02 0.32 -1.27 118.68 122.20 3cfk s LEU 136 Ca -0.12 -0.73 0.01 0.00 0.02 0.00 0.00 54.13 53.31 3cfk s LEU 136 Cb -0.16 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 3cfk s LEU 136 CO 0.04 -0.17 -0.14 0.21 0.02 0.00 0.00 176.35 176.31 3cfk s ASN 137 N 1.47 3.92 -1.17 2.29 2.47 -0.12 0.24 114.94 124.05 3cfk s ASN 137 Ca 0.02 -0.33 -0.04 0.00 0.42 0.00 0.00 52.86 52.93 3cfk s ASN 137 Cb -0.17 -1.45 -0.03 0.00 -1.45 0.00 0.00 41.25 38.16 3cfk s ASN 137 CO 0.01 0.20 0.88 0.59 -3.72 0.00 0.00 177.10 175.06 3cfk n ASN 138 N 3.31 -3.80 -4.87 -4.21 5.03 -0.80 -2.14 115.26 107.77 3cfk n ASN 138 Ca -0.18 -0.74 -0.21 0.00 0.87 0.00 0.00 54.58 54.32 3cfk n ASN 138 Cb 0.53 -4.72 -0.03 0.00 -1.02 0.00 0.00 39.78 34.53 3cfk n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3cfk s PHE 139 N -3.45 3.13 -0.25 3.10 -0.71 -0.05 -4.56 117.98 115.18 3cfk s PHE 139 Ca 0.21 -0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.74 3cfk s PHE 139 Cb -0.04 -1.56 0.07 0.00 -1.21 0.00 0.00 43.02 40.27 3cfk s PHE 139 CO 0.77 0.39 0.66 -0.47 -1.34 0.00 0.00 175.22 175.23 3cfk s TYR 140 N -2.14 -0.75 0.44 3.49 6.14 -0.17 -0.08 117.35 124.27 3cfk s TYR 140 Ca 0.36 1.80 -0.07 0.00 0.64 0.00 0.00 57.07 59.80 3cfk s TYR 140 Cb -0.08 0.28 0.10 0.00 0.42 0.00 0.00 41.96 42.69 3cfk s TYR 140 CO 0.27 -0.36 0.53 -0.35 0.64 0.00 0.00 175.55 176.27 3cfk n PRO 141 N 2.86 -0.97 0.10 4.97 -0.04 -1.26 -0.44 135.00 140.23 3cfk n PRO 141 Ca -0.14 -0.82 -0.04 0.00 -0.04 0.00 0.00 63.50 62.45 3cfk n PRO 141 Cb 0.56 -0.61 0.06 0.00 -0.04 0.00 0.00 33.50 33.47 3cfk n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cfk h ARG 142 N 0.00 0.05 -6.59 0.54 2.43 -1.99 -3.45 114.38 105.38 3cfk h ARG 142 Ca -0.18 -0.05 -0.52 0.00 -0.81 0.00 0.00 59.98 58.42 3cfk h ARG 142 Cb 0.50 0.01 0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3cfk h ARG 142 CO 0.12 0.78 0.97 -1.21 -1.51 0.00 0.00 179.97 179.12 3cfk s GLU 143 N -3.33 4.17 -0.26 0.20 2.02 -1.26 -4.97 118.70 115.28 3cfk s GLU 143 Ca -0.01 2.47 -0.20 0.00 0.02 0.00 0.00 54.97 57.25 3cfk s GLU 143 Cb 0.12 -3.25 0.07 0.00 0.10 0.00 0.00 34.13 31.17 3cfk s GLU 143 CO 0.79 -0.70 0.67 0.00 0.02 0.00 0.00 175.26 176.03 3cfk s ALA 144 N 1.57 -1.72 -0.12 5.21 0.00 -1.26 -4.59 121.76 120.85 3cfk s ALA 144 Ca 0.74 2.09 -0.03 0.00 0.00 0.00 0.00 51.96 54.76 3cfk s ALA 144 Cb -0.45 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3cfk s ALA 144 CO 0.32 -0.34 -0.02 0.21 0.00 0.00 0.00 175.76 175.93 3cfk s LYS 145 N 0.92 3.37 -0.13 0.00 2.20 -0.59 -4.99 119.74 120.52 3cfk s LYS 145 Ca -0.04 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 3cfk s LYS 145 Cb -0.05 -2.86 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3cfk s LYS 145 CO -0.08 0.44 -0.21 0.08 -0.36 0.00 0.00 175.35 175.22 3cfk s VAL 146 N -0.17 1.93 -0.10 4.02 1.01 -1.26 -1.62 120.40 124.21 3cfk s VAL 146 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3cfk s VAL 146 Cb -0.13 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3cfk s VAL 146 CO 0.02 0.53 -0.20 -1.10 0.00 0.00 0.00 175.10 174.35 3cfk s GLN 147 N 0.77 2.59 -0.07 2.72 -0.21 0.18 -4.96 119.66 120.68 3cfk s GLN 147 Ca -0.09 -0.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.46 3cfk s GLN 147 Cb -0.16 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 3cfk s GLN 147 CO -0.00 0.09 0.29 -1.58 -2.12 0.00 0.00 175.29 171.96 3cfk s TRP 148 N 0.56 3.64 -0.01 0.91 0.52 -1.26 -0.15 118.94 123.14 3cfk s TRP 148 Ca -0.15 0.75 0.02 0.00 0.02 0.00 0.00 56.10 56.74 3cfk s TRP 148 Cb -0.17 -2.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 3cfk s TRP 148 CO 0.05 0.62 -0.06 0.15 0.02 0.00 0.00 176.95 177.73 3cfk s LYS 149 N -0.81 0.57 -0.16 4.98 1.02 -0.53 -0.82 119.74 123.99 3cfk s LYS 149 Ca 0.19 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.99 3cfk s LYS 149 Cb -0.14 -0.56 0.02 0.00 -0.52 0.00 0.00 37.83 36.63 3cfk s LYS 149 CO 0.08 0.10 -0.16 0.08 -0.92 0.00 0.00 175.35 174.53 3cfk s VAL 150 N 0.05 1.72 -1.64 3.17 1.01 -0.44 -1.08 120.40 123.19 3cfk s VAL 150 Ca -0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 3cfk s VAL 150 Cb -0.05 -1.59 0.11 0.00 0.00 0.00 0.00 36.38 34.86 3cfk s VAL 150 CO -0.00 0.48 0.58 0.47 0.00 0.00 0.00 175.10 176.63 3cfk n ASP 151 N 4.71 -1.87 0.00 3.32 8.00 0.09 -1.52 116.55 129.29 3cfk n ASP 151 Ca -0.18 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3cfk n ASP 151 Cb 0.50 -2.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.08 3cfk n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3cfk n ASN 152 N -2.74 -1.66 -4.77 -2.24 5.03 -1.26 -5.01 115.26 102.60 3cfk n ASN 152 Ca -0.06 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.01 3cfk n ASN 152 Cb 0.56 -1.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.17 3cfk n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cfk s ALA 153 N -2.47 3.60 0.13 5.41 0.00 -0.58 -5.03 121.76 122.83 3cfk s ALA 153 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 3cfk s ALA 153 Cb 0.00 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 3cfk s ALA 153 CO 0.00 0.23 1.48 -0.51 0.00 0.00 0.00 175.76 176.96 3cfk s LEU 154 N -0.15 4.37 0.20 0.00 1.43 -1.26 -1.33 118.68 121.93 3cfk s LEU 154 Ca 0.23 2.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 3cfk s LEU 154 Cb -0.15 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3cfk s LEU 154 CO 0.10 -0.74 0.53 -1.10 0.23 0.00 0.00 176.35 175.37 3cfk s GLN 155 N 1.25 3.84 -0.07 1.70 -1.52 0.00 -4.93 119.66 119.93 3cfk s GLN 155 Ca 0.68 0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 54.36 3cfk s GLN 155 Cb -0.40 -2.75 0.04 0.00 -0.22 0.00 0.00 33.01 29.68 3cfk s GLN 155 CO 0.31 0.38 0.15 0.45 -0.25 0.00 0.00 175.29 176.32 3cfk s SER 156 N -2.16 -0.12 -1.79 5.90 0.15 -1.26 -4.70 113.70 109.72 3cfk s SER 156 Ca 0.44 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.40 3cfk s SER 156 Cb -0.12 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3cfk s SER 156 CO 0.21 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3cfk n GLY 157 N 4.16 -0.15 1.28 9.45 0.00 -1.26 -4.84 105.19 113.82 3cfk n GLY 157 Ca -0.26 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.80 3cfk n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cfk n ASN 158 N -1.90 1.22 -4.10 1.61 6.94 -1.26 -5.07 115.26 112.70 3cfk n ASN 158 Ca -0.23 -2.53 -0.13 0.00 -0.02 0.00 0.00 54.58 51.67 3cfk n ASN 158 Cb 0.68 -0.36 -0.11 0.00 -2.36 0.00 0.00 39.78 37.62 3cfk n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cfk s SER 159 N -2.37 1.01 0.15 0.53 1.04 -1.26 -2.19 113.70 110.61 3cfk s SER 159 Ca 0.35 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.15 3cfk s SER 159 Cb 0.38 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 3cfk s SER 159 CO -0.14 -0.25 -0.05 -1.10 0.98 0.00 0.00 173.24 172.68 3cfk s GLN 160 N -2.12 1.03 -0.00 4.02 -0.21 -0.62 -4.97 119.66 116.79 3cfk s GLN 160 Ca -0.04 -1.46 -0.10 0.00 0.02 0.00 0.00 55.36 53.77 3cfk s GLN 160 Cb -0.07 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.57 3cfk s GLN 160 CO -0.01 -0.03 0.21 -2.00 -2.12 0.00 0.00 175.29 171.34 3cfk s GLU 161 N -3.84 0.57 -0.24 2.91 2.12 -1.26 -0.89 118.70 118.06 3cfk s GLU 161 Ca 0.19 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 3cfk s GLU 161 Cb 0.05 0.24 0.07 0.00 0.26 0.00 0.00 34.13 34.75 3cfk s GLU 161 CO 0.01 -0.15 0.63 0.45 -0.54 0.00 0.00 175.26 175.66 3cfk s SER 162 N -1.40 -0.74 0.03 -1.70 0.15 -0.49 -5.01 113.70 104.56 3cfk s SER 162 Ca -0.14 1.32 0.06 0.00 0.70 0.00 0.00 55.95 57.89 3cfk s SER 162 Cb -0.06 1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 65.50 3cfk s SER 162 CO 0.02 -0.22 -0.18 0.54 1.20 0.00 0.00 173.24 174.60 3cfk s VAL 163 N 0.86 1.44 0.77 4.45 0.11 -1.26 -0.96 120.40 125.81 3cfk s VAL 163 Ca -0.04 -1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 57.82 3cfk s VAL 163 Cb -0.05 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.59 3cfk s VAL 163 CO -0.07 0.16 1.15 0.42 -3.33 0.00 0.00 175.10 173.43 3cfk s THR 164 N -0.76 2.53 0.69 5.04 -4.23 -0.27 -5.00 115.64 113.64 3cfk s THR 164 Ca 0.05 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 3cfk s THR 164 Cb -0.08 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.60 3cfk s THR 164 CO 0.01 -0.22 1.06 -1.61 -0.54 0.00 0.00 174.62 173.32 3cfk s GLU 165 N -5.50 2.97 0.21 3.99 2.02 -1.26 -4.65 118.70 116.48 3cfk s GLU 165 Ca 0.61 0.84 -0.32 0.00 0.02 0.00 0.00 54.97 56.11 3cfk s GLU 165 Cb -0.11 -2.00 -0.12 0.00 0.10 0.00 0.00 34.13 31.99 3cfk s GLU 165 CO 0.50 -1.05 1.66 0.94 0.02 0.00 0.00 175.26 177.33 3cfk n GLN 166 N -3.08 2.61 -2.05 1.61 7.27 -1.26 -4.79 117.38 117.69 3cfk n GLN 166 Ca 0.07 0.94 -0.41 0.00 0.07 0.00 0.00 57.00 57.66 3cfk n GLN 166 Cb 0.54 -2.75 -0.02 0.00 2.41 0.00 0.00 30.24 30.42 3cfk n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3cfk s ASP 167 N 0.96 6.70 0.00 1.69 -1.08 0.01 -4.90 116.67 120.05 3cfk s ASP 167 Ca 0.74 2.61 0.22 0.00 -0.52 0.00 0.00 52.55 55.60 3cfk s ASP 167 Cb -0.55 -2.62 1.08 0.00 -1.46 0.00 0.00 42.92 39.38 3cfk s ASP 167 CO 0.37 -0.68 1.72 -1.54 0.52 0.00 0.00 175.17 175.57 3cfk n SER 168 N 2.51 0.00 -0.04 -0.34 3.41 -1.26 -1.78 113.62 116.13 3cfk n SER 168 Ca 0.07 0.11 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3cfk n SER 168 Cb 0.41 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3cfk n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cfk n LYS 169 N -1.35 0.32 0.00 4.33 5.02 -1.26 -3.97 118.16 121.25 3cfk n LYS 169 Ca 0.09 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3cfk n LYS 169 Cb 0.20 -1.06 0.22 0.00 -0.02 0.00 0.00 35.03 34.38 3cfk n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cfk n ASP 170 N -4.04 1.42 -1.54 4.39 5.68 -1.26 -4.97 116.55 116.23 3cfk n ASP 170 Ca -0.11 -1.14 -0.16 0.00 -0.50 0.00 0.00 54.79 52.88 3cfk n ASP 170 Cb 0.35 0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 40.57 3cfk n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfk n SER 171 N -0.41 -4.88 -4.97 -1.12 7.64 -0.73 -4.99 113.62 104.16 3cfk n SER 171 Ca 0.11 0.19 -0.19 0.00 1.01 0.00 0.00 58.87 59.99 3cfk n SER 171 Cb 0.40 -3.90 -0.01 0.00 -1.01 0.00 0.00 64.21 59.68 3cfk n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfk s THR 172 N -2.70 4.13 0.24 0.44 -4.23 -1.26 -4.67 115.64 107.59 3cfk s THR 172 Ca 0.00 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3cfk s THR 172 Cb 0.00 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 3cfk s THR 172 CO 0.00 -0.18 0.04 -0.31 -0.54 0.00 0.00 174.62 173.64 3cfk s TYR 173 N -2.17 2.82 0.08 3.99 2.02 0.88 -0.81 117.35 124.17 3cfk s TYR 173 Ca 0.43 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.99 3cfk s TYR 173 Cb -0.09 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3cfk s TYR 173 CO 0.30 0.58 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.64 3cfk s SER 174 N -3.57 1.32 0.00 2.29 0.01 -1.26 -0.87 113.70 111.62 3cfk s SER 174 Ca 0.31 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.83 3cfk s SER 174 Cb -0.07 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 3cfk s SER 174 CO 0.21 -0.24 -0.01 -0.22 0.41 0.00 0.00 173.24 173.39 3cfk s LEU 175 N -2.20 2.04 -0.06 2.44 0.20 0.14 -1.11 118.68 120.13 3cfk s LEU 175 Ca 0.01 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.77 3cfk s LEU 175 Cb -0.05 -0.01 0.00 0.00 -0.43 0.00 0.00 46.19 45.71 3cfk s LEU 175 CO 0.00 -0.04 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.31 3cfk s SER 176 N -0.26 2.02 -0.03 3.68 0.15 -0.13 -0.52 113.70 118.61 3cfk s SER 176 Ca -0.02 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.32 3cfk s SER 176 Cb -0.02 -0.76 -0.00 0.00 -1.71 0.00 0.00 66.02 63.53 3cfk s SER 176 CO -0.00 0.10 -0.13 -0.55 1.20 0.00 0.00 173.24 173.86 3cfk s SER 177 N 0.34 1.61 -0.11 5.45 0.15 -0.09 -1.39 113.70 119.66 3cfk s SER 177 Ca -0.10 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.33 3cfk s SER 177 Cb -0.14 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3cfk s SER 177 CO 0.03 0.12 -0.22 -0.89 1.20 0.00 0.00 173.24 173.48 3cfk s THR 178 N -0.02 2.15 -0.25 6.45 2.01 -0.07 0.16 115.64 126.07 3cfk s THR 178 Ca -0.01 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 60.92 3cfk s THR 178 Cb -0.08 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3cfk s THR 178 CO 0.01 0.55 0.15 -0.22 -0.69 0.00 0.00 174.62 174.42 3cfk s LEU 179 N 0.47 3.93 -0.19 4.42 2.96 0.46 -1.59 118.68 129.13 3cfk s LEU 179 Ca -0.15 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3cfk s LEU 179 Cb -0.17 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3cfk s LEU 179 CO 0.06 0.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.16 3cfk s THR 180 N 1.36 3.44 0.16 3.68 2.01 -0.93 -0.71 115.64 124.65 3cfk s THR 180 Ca 0.07 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3cfk s THR 180 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 3cfk s THR 180 CO 0.06 0.45 0.04 -1.48 -0.69 0.00 0.00 174.62 173.01 3cfk s LEU 181 N 1.05 1.86 0.66 4.42 2.34 -0.80 -4.88 118.68 123.33 3cfk s LEU 181 Ca 0.01 -1.22 -0.14 0.00 0.06 0.00 0.00 54.13 52.84 3cfk s LEU 181 Cb -0.15 0.14 -0.00 0.00 -0.56 0.00 0.00 46.19 45.62 3cfk s LEU 181 CO -0.00 -0.67 1.08 -0.94 -1.06 0.00 0.00 176.35 174.76 3cfk s SER 182 N -3.13 5.28 0.16 1.48 1.04 -1.26 -1.38 113.70 115.88 3cfk s SER 182 Ca 0.26 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.36 3cfk s SER 182 Cb 0.07 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.73 3cfk s SER 182 CO 0.04 -1.51 1.70 0.50 0.98 0.00 0.00 173.24 174.95 3cfk h LYS 183 N -0.16 0.08 -0.56 4.02 3.64 -1.55 0.97 116.57 123.01 3cfk h LYS 183 Ca -0.46 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 3cfk h LYS 183 Cb 1.23 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 3cfk h LYS 183 CO 0.55 0.05 0.21 0.00 -2.27 0.00 0.00 179.45 177.99 3cfk h ALA 184 N 1.31 0.70 -0.22 5.00 0.00 -1.93 -0.97 119.26 123.16 3cfk h ALA 184 Ca 0.17 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3cfk h ALA 184 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cfk h ALA 184 CO -0.29 -0.19 -0.39 -0.44 0.00 0.00 0.00 179.25 177.93 3cfk h ASP 185 N 0.39 0.52 -0.21 0.00 3.32 -1.83 -2.86 116.42 115.76 3cfk h ASP 185 Ca 0.27 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3cfk h ASP 185 Cb 0.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3cfk h ASP 185 CO -0.27 0.86 0.09 0.22 -1.72 0.00 0.00 179.24 178.42 3cfk h TYR 186 N 0.41 0.36 0.00 4.55 3.20 -0.01 -2.79 116.97 122.69 3cfk h TYR 186 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3cfk h TYR 186 Cb 0.87 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3cfk h TYR 186 CO 0.03 0.30 0.00 0.39 -1.64 0.00 0.00 178.16 177.24 3cfk n GLU 187 N -4.42 0.14 0.00 1.82 -0.58 -0.44 -3.49 120.64 113.67 3cfk n GLU 187 Ca 0.01 0.18 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 3cfk n GLU 187 Cb 0.14 -1.68 0.39 0.00 -0.57 0.00 0.00 31.44 29.71 3cfk n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3cfk n LYS 188 N -1.93 0.23 -4.22 3.49 5.02 -1.05 -4.91 118.16 114.78 3cfk n LYS 188 Ca 0.05 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 3cfk n LYS 188 Cb 0.35 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 3cfk n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cfk s HIS 189 N -2.85 1.20 -0.19 2.13 3.76 -1.23 -5.08 115.29 113.04 3cfk s HIS 189 Ca 0.16 -0.43 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 3cfk s HIS 189 Cb 0.18 -0.69 -0.09 0.00 1.11 0.00 0.00 32.58 33.10 3cfk s HIS 189 CO 0.61 0.05 -0.16 1.17 -0.85 0.00 0.00 174.74 175.56 3cfk n LYS 190 N 1.47 0.52 -3.61 1.40 4.81 -1.26 -4.73 118.16 116.76 3cfk n LYS 190 Ca -0.20 0.42 -0.38 0.00 -0.87 0.00 0.00 58.31 57.28 3cfk n LYS 190 Cb 0.54 -1.61 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 3cfk n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3cfk s VAL 191 N -2.48 5.32 -0.20 3.15 1.01 -1.26 -0.74 120.40 125.20 3cfk s VAL 191 Ca -0.25 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 3cfk s VAL 191 Cb 0.05 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3cfk s VAL 191 CO 0.40 0.28 -0.10 -0.31 0.00 0.00 0.00 175.10 175.37 3cfk s TYR 192 N 1.55 2.89 0.01 5.22 1.51 -0.83 -0.73 117.35 126.98 3cfk s TYR 192 Ca 0.07 -1.17 0.06 0.00 -1.01 0.00 0.00 57.07 55.02 3cfk s TYR 192 Cb -0.15 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3cfk s TYR 192 CO 0.09 -0.63 -0.17 0.00 -1.11 0.00 0.00 175.55 173.73 3cfk s ALA 193 N 1.39 1.43 -0.23 3.71 0.00 -0.24 -1.76 121.76 126.06 3cfk s ALA 193 Ca 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 3cfk s ALA 193 Cb -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3cfk s ALA 193 CO -0.06 0.32 -0.06 0.00 0.00 0.00 0.00 175.76 175.96 3cfk s GLU 195 N 1.42 3.36 -0.11 0.00 2.12 0.79 -1.24 118.70 125.05 3cfk s GLU 195 Ca 0.04 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.69 3cfk s GLU 195 Cb -0.15 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.64 3cfk s GLU 195 CO -0.04 0.22 -0.12 0.08 -0.54 0.00 0.00 175.26 174.86 3cfk s VAL 196 N 0.32 1.29 -0.07 3.70 1.01 0.45 -0.65 120.40 126.45 3cfk s VAL 196 Ca -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3cfk s VAL 196 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3cfk s VAL 196 CO 0.06 0.40 -0.08 0.42 0.00 0.00 0.00 175.10 175.90 3cfk s THR 197 N 1.27 3.57 -0.00 3.92 -4.23 -0.64 -1.60 115.64 117.93 3cfk s THR 197 Ca -0.02 -0.52 -0.25 0.00 -1.18 0.00 0.00 61.69 59.72 3cfk s THR 197 Cb -0.14 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.30 3cfk s THR 197 CO -0.05 0.59 0.56 -2.28 -0.54 0.00 0.00 174.62 172.90 3cfk s HIS 198 N -0.67 -0.49 0.48 3.99 2.46 -1.26 -1.55 115.29 118.25 3cfk s HIS 198 Ca 0.10 0.72 0.17 0.00 0.47 0.00 0.00 55.06 56.52 3cfk s HIS 198 Cb -0.11 0.34 1.16 0.00 -0.13 0.00 0.00 32.58 33.84 3cfk s HIS 198 CO 0.02 -0.59 2.03 0.37 -2.47 0.00 0.00 174.74 174.09 3cfk h GLN 199 N 3.03 0.22 0.00 2.88 4.15 -1.93 -1.35 115.11 122.12 3cfk h GLN 199 Ca -0.29 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3cfk h GLN 199 Cb 1.18 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3cfk h GLN 199 CO 0.40 0.15 0.00 0.41 -1.93 0.00 0.00 178.83 177.86 3cfk n GLY 200 N -1.55 -1.39 3.74 2.39 0.00 -1.26 -4.69 105.19 102.43 3cfk n GLY 200 Ca 0.06 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3cfk n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 201 N -3.65 4.11 0.00 0.99 1.43 -0.51 -4.60 118.68 116.45 3cfk s LEU 201 Ca 0.10 0.25 0.28 0.00 -1.03 0.00 0.00 54.13 53.73 3cfk s LEU 201 Cb 0.13 -2.03 1.08 0.00 0.03 0.00 0.00 46.19 45.41 3cfk s LEU 201 CO 0.46 0.26 1.81 -1.54 0.23 0.00 0.00 176.35 177.57 3cfk n SER 202 N 2.97 0.15 -3.50 2.29 3.41 -1.26 -4.67 113.62 113.00 3cfk n SER 202 Ca -0.17 0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 3cfk n SER 202 Cb 0.53 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3cfk n SER 202 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfk s SER 203 N -2.94 -0.55 0.47 4.04 1.04 -1.26 -5.15 113.70 109.35 3cfk s SER 203 Ca 0.15 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.73 3cfk s SER 203 Cb 0.19 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.73 3cfk s SER 203 CO 0.56 -0.65 1.37 -2.84 0.98 0.00 0.00 173.24 172.66 3cfk s PRO 204 N -2.05 3.59 -0.15 4.02 0.02 -1.26 -4.97 135.00 134.19 3cfk s PRO 204 Ca -0.04 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 3cfk s PRO 204 Cb -0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 3cfk s PRO 204 CO 0.00 -0.85 0.24 0.08 -0.33 0.00 0.00 177.00 176.14 3cfk s VAL 205 N -1.26 5.34 -0.11 3.83 1.01 -0.63 -4.90 120.40 123.69 3cfk s VAL 205 Ca 0.63 0.43 0.02 0.00 0.00 0.00 0.00 61.98 63.06 3cfk s VAL 205 Cb -0.41 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3cfk s VAL 205 CO 0.51 0.45 -0.16 -0.89 0.00 0.00 0.00 175.10 175.01 3cfk s THR 206 N 0.07 2.79 -0.05 3.92 2.01 -1.26 -0.41 115.64 122.72 3cfk s THR 206 Ca 0.15 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.42 3cfk s THR 206 Cb -0.13 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3cfk s THR 206 CO 0.03 0.54 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.78 3cfk s LYS 207 N 0.16 2.49 0.19 4.92 -0.14 -0.37 -4.98 119.74 122.02 3cfk s LYS 207 Ca -0.09 -0.77 -0.10 0.00 -1.36 0.00 0.00 55.97 53.65 3cfk s LYS 207 Cb -0.15 -2.29 -0.01 0.00 -1.68 0.00 0.00 37.83 33.69 3cfk s LYS 207 CO 0.05 0.54 0.33 -1.54 -0.76 0.00 0.00 175.35 173.98 3cfk s SER 208 N -0.54 0.00 0.07 2.83 1.04 -1.26 -0.31 113.70 115.53 3cfk s SER 208 Ca 0.07 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 3cfk s SER 208 Cb -0.11 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3cfk s SER 208 CO 0.01 -0.96 0.09 0.72 0.98 0.00 0.00 173.24 174.09 3cfk s PHE 209 N -4.00 0.30 -0.25 5.02 -0.12 -0.72 -5.01 117.98 113.20 3cfk s PHE 209 Ca 0.20 -0.76 -0.08 0.00 -0.05 0.00 0.00 56.93 56.23 3cfk s PHE 209 Cb 0.02 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3cfk s PHE 209 CO 0.03 -0.46 0.11 -0.80 -0.05 0.00 0.00 175.22 174.05 3cfk s ASN 210 N -2.81 5.44 0.06 1.98 0.01 -1.26 -1.96 114.94 116.40 3cfk s ASN 210 Ca 0.05 -0.12 -0.37 0.00 -0.71 0.00 0.00 52.86 51.70 3cfk s ASN 210 Cb 0.06 -1.99 -0.17 0.00 0.41 0.00 0.00 41.25 39.56 3cfk s ASN 210 CO -0.10 -0.02 1.37 -1.14 -1.51 0.00 0.00 177.10 175.70 3cfk n ARG 211 N 4.85 1.15 -2.88 -0.60 0.63 0.08 -1.83 116.66 118.06 3cfk n ARG 211 Ca -0.16 0.41 -0.14 0.00 -0.92 0.00 0.00 57.85 57.05 3cfk n ARG 211 Cb 0.52 -2.06 0.03 0.00 0.45 0.00 0.00 32.46 31.40 3cfk n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cfk n GLY 212 N 2.64 0.00 0.00 5.14 0.00 -1.26 -4.98 105.19 106.74 3cfk n GLY 212 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3cfk n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50